2-azaspiro[5.6]dodecane

• ChemBase ID: 284130
• Molecular Formular: C11H21N
• Molecular Mass: 167.29114
• Monoisotopic Mass: 167.16739968
• SMILES: N1CC2(CCC1)CCCCCC2
• Canonical SMILES: C1CCCC2(CC1)CCCNC2
• InChI: InChI=1S/C11H21N/c1-2-4-7-11(6-3-1)8-5-9-12-10-11/h12H,1-10H2
• InChIKey: DHVGQBXWFXZJGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-azaspiro[5.6]dodecane
• IUPAC Traditional name: 2-azaspiro[5.6]dodecane
• Synonyms: 2-azaspiro[5.6]dodecane

Database IDs

• MDL Number: MFCD19680463
• PubChem SID: 180669661
• PubChem CID: 23282863

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.51737314
• LogD (pH = 7.4): -0.082848884
• Log P: 2.7150102
• Molar Refractivity: 52.3069 cm^3
• Polarizability: 21.091114 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.485

Product Information

• Purity: 95%